6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine

C16H13N5O4 — CID 22531140

IUPAC6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1ncnc(Nc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C16H13N5O4/c1-24-11-6-2-3-7-12(11)25-16-14(21(22)23)15(18-10-19-16)20-13-8-4-5-9-17-13/h2-10H,1H3,(H,17,18,19,20)
InChIKeyJKHQPNULYJJRBT-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.32
Rot. Bonds6

About 6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine

6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 22531140) has the molecular formula C16H13N5O4 and a molecular weight of 339.31 g/mol. Its IUPAC name is 6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID22531140
Molecular FormulaC16H13N5O4
Molecular Weight339.31 g/mol
Exact Mass339.10
IUPAC Name6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1ncnc(Nc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C16H13N5O4/c1-24-11-6-2-3-7-12(11)25-16-14(21(22)23)15(18-10-19-16)20-13-8-4-5-9-17-13/h2-10H,1H3,(H,17,18,19,20)
InChIKeyJKHQPNULYJJRBT-UHFFFAOYSA-N
XLogP3.32
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
CID 3623508
N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 22537689
N-(2,4-dimethylphenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22525693
4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 22531105
N-(3-chloro-2-methylphenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 23484110
N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22534878
6-N-(2-methoxyethyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 22531057
4-fluoro-N'-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535593
4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine
CID 22538100
N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
CID 23479921
N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493822
4-(2-methoxyphenoxy)-5-nitro-6-phenylsulfanylpyrimidine
CID 22534103

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine (CID 22531140) is 6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine is COc1ccccc1Oc1ncnc(Nc2ccccn2)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is JKHQPNULYJJRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O4/c1-24-11-6-2-3-7-12(11)25-16-14(21(22)23)15(18-10-19-16)20-13-8-4-5-9-17-13/h2-10H,1H3,(H,17,18,19,20).
What are the key properties of 6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine?
6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 339.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 22531140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).